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Ponatinib
SpectraBase Compound ID B6odLl4jVME
InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
InChIKey PHXJVRSECIGDHY-UHFFFAOYSA-N
Mol Weight 532.57 g/mol
Molecular Formula C29H27F3N6O
Exact Mass 532.219844 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6dSGRXL2rz4
Name Ponatinib
Source of Sample Cayman Chemical Company
Catalog Number 11494
Lot Number 0454065
CAS Registry Number 943319-70-8
Classification orally available, pan-Bcr-Abl tyrosine kinase inhibitor
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27F3N6O
InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
InChIKey PHXJVRSECIGDHY-UHFFFAOYSA-N
Molecular Weight 532.571 g/mol
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd:YAG
Sadtler IR Number DW2742
Source of Spectrum Forensic Spectral Research
Synonyms 3-​(2-Imidazo[1,​2-​b]pyridazin-​3-​ylethynyl)-​4-​methyl-​N-​[4-​[(4-​methyl-​1-​piperazinyl)methyl]-​3-​(trifluoromethyl)phenyl]benzamide; AP 24534; Iclusig
Technique FT-Raman